N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C17H26N2O3S — CID 42744888

IUPACN-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccco1
InChIInChI=1S/C17H26N2O3S/c1-4-5-8-18-16(20)13-11-23-15(10-12(2)3)19(13)17(21)14-7-6-9-22-14/h6-7,9,12-13,15H,4-5,8,10-11H2,1-3H3,(H,18,20)
InChIKeyAFBKIDXLQVLYSG-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.13
Rot. Bonds7

About N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744888) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744888
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccco1
InChIInChI=1S/C17H26N2O3S/c1-4-5-8-18-16(20)13-11-23-15(10-12(2)3)19(13)17(21)14-7-6-9-22-14/h6-7,9,12-13,15H,4-5,8,10-11H2,1-3H3,(H,18,20)
InChIKeyAFBKIDXLQVLYSG-UHFFFAOYSA-N
XLogP3.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744889
N-tert-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744887
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
N-butyl-3-(3-methylbut-2-enoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745347
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42745397
3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744854
3-(furan-2-carbonyl)-N-(2-piperidin-1-ylethyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744800
N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748082
3-(2-chlorobenzoyl)-N-(3-methoxypropyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748221
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
3-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748228

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42744888) is N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CCCCNC(=O)C1CSC(CC(C)C)N1C(=O)c1ccco1.
What is the InChIKey of N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is AFBKIDXLQVLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-5-8-18-16(20)13-11-23-15(10-12(2)3)19(13)17(21)14-7-6-9-22-14/h6-7,9,12-13,15H,4-5,8,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).